CID 10866322

(1r,4s)-bicyclo[2.2.1]hept-5-ene-2,3-dione

Structural Information

Molecular Formula
C7H6O2
SMILES
C1[C@@H]2C=C[C@H]1C(=O)C2=O
InChI
InChI=1S/C7H6O2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2/t4-,5+
InChIKey
BOFDMSONIJMXOQ-SYDPRGILSA-N
Compound name
(1S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.03678 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.044056 121.2
[M+Na]+ 145.025998 131.4
[M-H]- 121.029504 125.0
[M+NH4]+ 140.070603 149.0
[M+K]+ 160.999938 129.8
[M+H-H2O]+ 105.034040 118.0
[M+HCOO]- 167.034981 145.5
[M+CH3COO]- 181.050631 169.7
[M+Na-2H]- 143.011446 126.6
[M]+ 122.03623142 122.0
[M]- 122.03732858 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.